Compile Data Set for Download or QSAR

Found 355 hits of ec50 for UniProtKB: Q05941   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50232594 (CHEMBL4102566) Show SMILES C1N=C(Nc2cc(ncn2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wD:17.19,t:1,TLB:0:17:20.21:24.23,THB:16:17:20.21:24.23,(15.47,-25.27,;15.91,-23.79,;14.64,-22.92,;14.61,-21.38,;15.93,-20.58,;15.89,-19.04,;17.21,-18.24,;18.57,-18.98,;18.6,-20.53,;17.28,-21.33,;17.16,-16.7,;18.48,-15.9,;18.45,-14.36,;17.09,-13.62,;15.77,-14.43,;15.82,-15.97,;13.42,-23.85,;13.93,-25.31,;14.79,-26.41,;13.02,-27.37,;12.76,-28.49,;11.95,-27.32,;12.44,-25.93,;11.22,-24.85,;11.51,-26.06,)| Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-10-17(22-13-21-16)23-18-20-11-19(25-18)12-24-8-6-15(19)7-9-24/h1-5,10,13,15H,6-9,11-12H2,(H,20,21,22,23)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.490	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 assessed as area under current curve at holding potential of ...				ACS Med Chem Lett 8: 366-371 (2017) Article DOI: 10.1021/acsmedchemlett.7b00032 BindingDB Entry DOI: 10.7270/Q2S46V8B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50399780 (CHEMBL2179874) Show SMILES Ic1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:9.9,wD:16.19,(34.89,-18.91,;33.35,-18.9,;32.45,-17.65,;30.99,-18.12,;30.98,-19.66,;32.44,-20.14,;29.83,-20.69,;29.83,-22.23,;28.5,-19.92,;27.16,-20.68,;25.83,-19.9,;24.51,-20.68,;24.51,-22.22,;25.83,-22.98,;25.05,-21.65,;26.43,-21.15,;27.16,-22.22,;28.5,-22.99,;28.49,-24.53,;27.16,-25.3,;27.15,-26.84,;28.49,-27.61,;29.83,-26.83,;29.82,-25.3,)| Show InChI InChI=1S/C18H20IN3OS/c19-16-4-3-15(24-16)18(23)21-17-13-5-8-22(9-6-13)14(17)10-12-2-1-7-20-11-12/h1-4,7,11,13-14,17H,5-6,8-10H2,(H,21,23)/t14-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50399776 (CHEMBL2179878) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1cccs1 |r,wU:3.2,wD:10.12,(34.31,-36.29,;34.32,-34.75,;32.99,-33.98,;31.65,-34.74,;30.32,-33.97,;28.99,-34.74,;28.99,-36.28,;30.32,-37.05,;29.54,-35.71,;30.91,-35.21,;31.65,-36.28,;32.98,-37.06,;32.98,-38.6,;31.64,-39.36,;31.64,-40.9,;32.97,-41.67,;34.31,-40.9,;34.31,-39.36,;35.47,-33.72,;35.48,-32.19,;36.94,-31.72,;37.84,-32.96,;36.93,-34.2,;39.38,-32.97,;40.29,-31.73,;41.75,-32.21,;41.74,-33.75,;40.27,-34.22,)| Show InChI InChI=1S/C22H23N3OS2/c26-22(20-6-5-19(28-20)18-4-2-12-27-18)24-21-16-7-10-25(11-8-16)17(21)13-15-3-1-9-23-14-15/h1-6,9,12,14,16-17,21H,7-8,10-11,13H2,(H,24,26)/t17-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50451608 (CHEMBL4207475) Show SMILES Cc1ccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc2c1 |r,wU:7.16,THB:15:7:10.11:14.13,(22.52,-20.3,;20.96,-20.73,;20.57,-22.22,;19.09,-22.63,;17.99,-21.54,;16.46,-21.63,;15.26,-22.59,;13.98,-21.76,;14.28,-23.23,;12.84,-22.56,;11.22,-23.26,;11.01,-21.8,;12.56,-21.13,;12.63,-19.41,;13.11,-20.57,;14.36,-20.28,;15.9,-20.19,;17.09,-19.22,;18.38,-20.05,;19.86,-19.64,)| Show InChI InChI=1S/C16H19N3O/c1-11-2-3-14-13(8-11)17-15-19(14)10-16(20-15)9-18-6-4-12(16)5-7-18/h2-3,8,12H,4-7,9-10H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as increase in calcium flux measured for 2 mins by ...				Bioorg Med Chem Lett 27: 5002-5005 (2017) Article DOI: 10.1016/j.bmcl.2017.10.009 BindingDB Entry DOI: 10.7270/Q24Q7XJ3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50232611 (CHEMBL4071859) Show SMILES C1N=C(Nc2ncc3ccccc3n2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:19.18:21.22,THB:0:15:19.18:21.22,(28.62,-8.14,;29.77,-7.11,;29.14,-5.71,;29.91,-4.37,;31.46,-4.37,;32.22,-5.71,;33.76,-5.71,;34.53,-4.38,;36.07,-4.38,;36.84,-3.04,;36.06,-1.7,;34.52,-1.7,;33.76,-3.04,;32.22,-3.04,;27.61,-5.87,;27.29,-7.37,;27.28,-8.78,;25.11,-8.25,;25.12,-6.45,;25.69,-5.17,;25.76,-6.7,;24.37,-7.46,;24.04,-9.01,)| Show InChI InChI=1S/C17H19N5O/c1-2-4-14-12(3-1)9-18-15(20-14)21-16-19-10-17(23-16)11-22-7-5-13(17)6-8-22/h1-4,9,13H,5-8,10-11H2,(H,18,19,20,21)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50451614 (CHEMBL4211315) Show SMILES COc1ccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc2c1 |r,wU:8.17,THB:16:8:11.12:15.14,(24.09,-19.23,;23.67,-20.8,;22.12,-21.22,;21.73,-22.71,;20.25,-23.11,;19.15,-22.03,;17.62,-22.11,;16.42,-23.08,;15.14,-22.25,;15.44,-23.72,;14,-23.05,;12.39,-23.75,;12.17,-22.29,;13.72,-21.62,;13.79,-19.9,;14.27,-21.06,;15.52,-20.77,;17.06,-20.68,;18.25,-19.7,;19.54,-20.54,;21.02,-20.13,)| Show InChI InChI=1S/C16H19N3O2/c1-20-12-2-3-14-13(8-12)17-15-19(14)10-16(21-15)9-18-6-4-11(16)5-7-18/h2-3,8,11H,4-7,9-10H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as increase in calcium flux measured for 2 mins by ...				Bioorg Med Chem Lett 27: 5002-5005 (2017) Article DOI: 10.1016/j.bmcl.2017.10.009 BindingDB Entry DOI: 10.7270/Q24Q7XJ3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50451607 (CHEMBL4202588) Show SMILES Cc1cccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc12 |r,wU:8.17,THB:16:8:11.12:15.14,(20.88,-18.07,;20.47,-19.64,;21.57,-20.72,;21.18,-22.21,;19.7,-22.62,;18.6,-21.53,;17.07,-21.62,;15.87,-22.59,;14.59,-21.76,;14.89,-23.22,;13.45,-22.56,;11.84,-23.25,;11.62,-21.8,;13.18,-21.12,;13.24,-19.4,;13.72,-20.57,;14.98,-20.27,;16.51,-20.19,;17.7,-19.21,;18.99,-20.05,)| Show InChI InChI=1S/C16H19N3O/c1-11-3-2-4-13-14(11)17-15-19(13)10-16(20-15)9-18-7-5-12(16)6-8-18/h2-4,12H,5-10H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as increase in calcium flux measured for 2 mins by ...				Bioorg Med Chem Lett 27: 5002-5005 (2017) Article DOI: 10.1016/j.bmcl.2017.10.009 BindingDB Entry DOI: 10.7270/Q24Q7XJ3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50232609 (CHEMBL4098776) Show SMILES C1N=C(Nc2nccc(n2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wU:17.18,t:1,TLB:16:17:21.20:23.24,THB:0:17:21.20:23.24,(38.44,-28.23,;39.58,-27.21,;38.96,-25.8,;39.73,-24.47,;41.27,-24.47,;42.04,-25.8,;43.58,-25.8,;44.34,-24.47,;43.57,-23.13,;42.04,-23.13,;44.34,-21.8,;45.89,-21.8,;46.66,-20.47,;45.88,-19.13,;44.33,-19.13,;43.57,-20.47,;37.43,-25.96,;37.11,-27.46,;37.09,-28.88,;34.93,-28.34,;34.94,-26.54,;35.51,-25.27,;35.58,-26.79,;34.18,-27.55,;33.86,-29.1,)| Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-6-9-20-17(22-16)23-18-21-12-19(25-18)13-24-10-7-15(19)8-11-24/h1-6,9,15H,7-8,10-13H2,(H,20,21,22,23)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50211208 (CHEMBL3926969) Show SMILES C1N=C(Nc2cc(ccn2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wU:17.18,t:1,THB:16:17:20.21:24.23,(46.52,-20.21,;47.35,-18.92,;46.38,-17.72,;46.78,-16.24,;48.26,-15.84,;48.64,-14.36,;50.12,-13.96,;51.22,-15.04,;50.82,-16.53,;49.34,-16.93,;50.5,-12.47,;52,-12.06,;52.39,-10.57,;51.29,-9.48,;49.79,-9.9,;49.41,-11.39,;44.95,-18.28,;45.04,-19.81,;45.34,-21.33,;43.85,-20.64,;42.19,-21.36,;41.98,-19.86,;43.57,-19.16,;43.65,-17.39,;44.12,-18.59,)| Show InChI InChI=1S/C20H22N4O/c1-2-4-15(5-3-1)16-6-9-21-18(12-16)23-19-22-13-20(25-19)14-24-10-7-17(20)8-11-24/h1-6,9,12,17H,7-8,10-11,13-14H2,(H,21,22,23)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.90	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 measured for 2 mins by FLIPR assay				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50206243 (CHEMBL3918431) Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)| Show InChI InChI=1S/C18H20N4O/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-11-18(23-17)12-22-7-5-15(18)6-8-22/h1-4,9-10,15H,5-8,11-12H2,(H,19,20,21)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.30	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 measured for 2 mins by FLIPR assay				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50206243 (CHEMBL3918431) Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)| Show InChI InChI=1S/C18H20N4O/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-11-18(23-17)12-22-7-5-15(18)6-8-22/h1-4,9-10,15H,5-8,11-12H2,(H,19,20,21)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.30	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4 AM dye based FLIPR assay				ACS Med Chem Lett 8: 366-371 (2017) Article DOI: 10.1021/acsmedchemlett.7b00032 BindingDB Entry DOI: 10.7270/Q2S46V8B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50206243 (CHEMBL3918431) Show SMILES C1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)| Show InChI InChI=1S/C18H20N4O/c1-2-4-14-10-19-16(9-13(14)3-1)21-17-20-11-18(23-17)12-22-7-5-15(18)6-8-22/h1-4,9-10,15H,5-8,11-12H2,(H,19,20,21)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.30	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Activation responses to that evoked by ACh at human Nicotinic acetylcholine receptor alpha-7 expressed in xenopus oocytes				Bioorg Med Chem Lett 14: 1849-53 (2004) Article DOI: 10.1016/j.bmcl.2003.09.104 BindingDB Entry DOI: 10.7270/Q2PK0GQW
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50451612 (CHEMBL4215131) Show SMILES C1n2c(O[C@]11CN3CCC1CC3)nc1ccccc21 |r,wU:4.3,THB:3:4:7.8:11.10,(19.66,-17.13,;20.86,-16.16,;20.3,-14.73,;18.76,-14.82,;18.37,-16.3,;18.67,-17.77,;17.24,-17.1,;15.62,-17.79,;15.41,-16.34,;16.96,-15.67,;17.03,-13.95,;17.5,-15.11,;21.49,-13.75,;22.78,-14.59,;24.26,-14.18,;25.36,-15.27,;24.97,-16.76,;23.48,-17.16,;22.39,-16.08,)| Show InChI InChI=1S/C15H17N3O/c1-2-4-13-12(3-1)16-14-18(13)10-15(19-14)9-17-7-5-11(15)6-8-17/h1-4,11H,5-10H2/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as increase in calcium flux measured for 2 mins by ...				Bioorg Med Chem Lett 27: 5002-5005 (2017) Article DOI: 10.1016/j.bmcl.2017.10.009 BindingDB Entry DOI: 10.7270/Q24Q7XJ3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50232594 (CHEMBL4102566) Show SMILES C1N=C(Nc2cc(ncn2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wD:17.19,t:1,TLB:0:17:20.21:24.23,THB:16:17:20.21:24.23,(15.47,-25.27,;15.91,-23.79,;14.64,-22.92,;14.61,-21.38,;15.93,-20.58,;15.89,-19.04,;17.21,-18.24,;18.57,-18.98,;18.6,-20.53,;17.28,-21.33,;17.16,-16.7,;18.48,-15.9,;18.45,-14.36,;17.09,-13.62,;15.77,-14.43,;15.82,-15.97,;13.42,-23.85,;13.93,-25.31,;14.79,-26.41,;13.02,-27.37,;12.76,-28.49,;11.95,-27.32,;12.44,-25.93,;11.22,-24.85,;11.51,-26.06,)| Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-10-17(22-13-21-16)23-18-20-11-19(25-18)12-24-8-6-15(19)7-9-24/h1-5,10,13,15H,6-9,11-12H2,(H,20,21,22,23)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50399781 (CHEMBL2179873) Show SMILES Brc1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:9.9,wD:16.19,(21.88,-19.63,;20.34,-19.62,;19.44,-18.37,;17.98,-18.84,;17.97,-20.37,;19.43,-20.86,;16.82,-21.41,;16.81,-22.95,;15.48,-20.63,;14.15,-21.4,;12.82,-20.62,;11.49,-21.4,;11.49,-22.94,;12.82,-23.7,;12.03,-22.36,;13.41,-21.86,;14.15,-22.94,;15.48,-23.71,;15.48,-25.25,;14.14,-26.01,;14.14,-27.55,;15.47,-28.33,;16.81,-27.55,;16.81,-26.01,)| Show InChI InChI=1S/C18H20BrN3OS/c19-16-4-3-15(24-16)18(23)21-17-13-5-8-22(9-6-13)14(17)10-12-2-1-7-20-11-12/h1-4,7,11,13-14,17H,5-6,8-10H2,(H,21,23)/t14-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50232594 (CHEMBL4102566) Show SMILES C1N=C(Nc2cc(ncn2)-c2ccccc2)O[C@]11CN2CCC1CC2 |r,wD:17.19,t:1,TLB:0:17:20.21:24.23,THB:16:17:20.21:24.23,(15.47,-25.27,;15.91,-23.79,;14.64,-22.92,;14.61,-21.38,;15.93,-20.58,;15.89,-19.04,;17.21,-18.24,;18.57,-18.98,;18.6,-20.53,;17.28,-21.33,;17.16,-16.7,;18.48,-15.9,;18.45,-14.36,;17.09,-13.62,;15.77,-14.43,;15.82,-15.97,;13.42,-23.85,;13.93,-25.31,;14.79,-26.41,;13.02,-27.37,;12.76,-28.49,;11.95,-27.32,;12.44,-25.93,;11.22,-24.85,;11.51,-26.06,)| Show InChI InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)16-10-17(22-13-21-16)23-18-20-11-19(25-18)12-24-8-6-15(19)7-9-24/h1-5,10,13,15H,6-9,11-12H2,(H,20,21,22,23)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in Ca2+ flux by Fluo-4 AM dye based FLIPR assay				ACS Med Chem Lett 8: 366-371 (2017) Article DOI: 10.1021/acsmedchemlett.7b00032 BindingDB Entry DOI: 10.7270/Q2S46V8B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50399772 (CHEMBL2179882) Show SMILES COc1cccc2cc(oc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:14.15,wD:21.25,(11.42,-6.5,;12.06,-5.09,;11.16,-3.84,;11.8,-2.44,;10.9,-1.19,;9.38,-1.35,;8.75,-2.74,;7.28,-3.21,;7.28,-4.75,;8.74,-5.23,;9.64,-3.99,;6.12,-5.78,;6.12,-7.32,;4.79,-5,;3.45,-5.77,;2.12,-4.99,;.79,-5.77,;.79,-7.31,;2.12,-8.08,;1.33,-6.74,;2.71,-6.24,;3.45,-7.31,;4.79,-8.09,;4.78,-9.63,;3.44,-10.4,;3.44,-11.94,;4.78,-12.71,;6.12,-11.93,;6.12,-10.4,)| Show InChI InChI=1S/C23H25N3O3/c1-28-19-6-2-5-17-13-20(29-22(17)19)23(27)25-21-16-7-10-26(11-8-16)18(21)12-15-4-3-9-24-14-15/h2-6,9,13-14,16,18,21H,7-8,10-12H2,1H3,(H,25,27)/t18-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50451606 (CHEMBL4214778) Show SMILES FC(F)(F)c1ccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc2c1 |r,wU:10.19,THB:18:10:13.14:17.16,(24.67,-19.03,;25.09,-20.6,;26.24,-19.45,;26.25,-21.75,;23.54,-21.04,;23.14,-22.53,;21.66,-22.93,;20.57,-21.85,;19.03,-21.94,;17.84,-22.9,;16.55,-22.07,;16.85,-23.54,;15.41,-22.87,;13.8,-23.57,;13.59,-22.11,;15.14,-21.44,;15.2,-19.72,;15.68,-20.88,;16.94,-20.59,;18.47,-20.5,;19.67,-19.53,;20.95,-20.36,;22.44,-19.95,)| Show InChI InChI=1S/C16H16F3N3O/c17-16(18,19)11-1-2-13-12(7-11)20-14-22(13)9-15(23-14)8-21-5-3-10(15)4-6-21/h1-2,7,10H,3-6,8-9H2/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as increase in calcium flux measured for 2 mins by ...				Bioorg Med Chem Lett 27: 5002-5005 (2017) Article DOI: 10.1016/j.bmcl.2017.10.009 BindingDB Entry DOI: 10.7270/Q24Q7XJ3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430251 (CHEMBL2332469) Show SMILES CS(=O)(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CN3CCC2CC3)c2ccccc12 |(12.11,-47.63,;10.77,-46.86,;9.99,-45.52,;11.54,-45.52,;9.44,-47.63,;8.11,-46.86,;6.77,-47.63,;5.44,-46.86,;4.1,-47.64,;4.11,-49.17,;5.44,-49.94,;6.77,-49.17,;5.44,-51.47,;6.79,-52.25,;6.78,-53.81,;8.11,-54.58,;5.44,-54.58,;5.43,-56.12,;4.1,-56.88,;2.77,-56.1,;1.44,-56.86,;1.43,-58.4,;2.76,-59.18,;4.1,-58.42,;2.95,-56.85,;2.19,-58.19,;4.1,-53.8,;2.77,-54.57,;1.43,-53.8,;1.44,-52.25,;2.76,-51.48,;4.1,-52.25,)| Show InChI InChI=1S/C25H29N3O3S/c1-32(30,31)26-15-18-5-4-6-20(13-18)23-14-25(29)28(24-8-3-2-7-22(23)24)17-21-16-27-11-9-19(21)10-12-27/h2-8,13-14,19,21,26H,9-12,15-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50451618 (CHEMBL4218050) Show SMILES Clc1ccc2nc3O[C@@]4(Cn3c2c1)CN1CCC4CC1 |r,wU:8.7,THB:7:8:15.16:19.18,(24.41,-22.86,;23.26,-21.72,;23.65,-20.23,;22.56,-19.15,;21.07,-19.55,;19.78,-18.72,;18.59,-19.69,;17.06,-19.78,;16.67,-21.27,;17.95,-22.09,;19.15,-21.13,;20.68,-21.04,;21.78,-22.13,;16.97,-22.73,;15.53,-22.07,;13.92,-22.76,;13.7,-21.3,;15.25,-20.63,;15.32,-18.91,;15.8,-20.07,)| Show InChI InChI=1S/C15H16ClN3O/c16-11-1-2-12-13(7-11)19-9-15(20-14(19)17-12)8-18-5-3-10(15)4-6-18/h1-2,7,10H,3-6,8-9H2/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as increase in calcium flux measured for 2 mins by ...				Bioorg Med Chem Lett 27: 5002-5005 (2017) Article DOI: 10.1016/j.bmcl.2017.10.009 BindingDB Entry DOI: 10.7270/Q24Q7XJ3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50399782 (CHEMBL2179872) Show SMILES Cc1ccsc1\C=C\C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:11.11,wD:18.21,(35.12,-1.47,;36.37,-2.37,;37.83,-1.89,;38.74,-3.13,;37.84,-4.38,;36.38,-3.91,;35.04,-4.67,;33.71,-3.9,;32.37,-4.67,;32.37,-6.21,;31.04,-3.89,;29.7,-4.66,;28.38,-3.88,;27.05,-4.66,;27.05,-6.2,;28.38,-6.96,;27.59,-5.62,;28.97,-5.13,;29.7,-6.2,;31.04,-6.97,;31.04,-8.51,;29.7,-9.28,;29.7,-10.81,;31.03,-11.59,;32.37,-10.81,;32.36,-9.28,)| Show InChI InChI=1S/C21H25N3OS/c1-15-8-12-26-19(15)4-5-20(25)23-21-17-6-10-24(11-7-17)18(21)13-16-3-2-9-22-14-16/h2-5,8-9,12,14,17-18,21H,6-7,10-11,13H2,1H3,(H,23,25)/b5-4+/t18-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50399783 (CHEMBL2179871) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)\C=C\c1ccccc1 |r,wU:3.2,wD:10.12,(18.34,-5.97,;18.35,-4.43,;17.02,-3.65,;15.68,-4.42,;14.35,-3.64,;13.02,-4.42,;13.02,-5.96,;14.35,-6.72,;13.57,-5.38,;14.94,-4.88,;15.68,-5.96,;17.01,-6.73,;17.01,-8.27,;15.67,-9.04,;15.67,-10.57,;17.01,-11.35,;18.34,-10.57,;18.34,-9.03,;19.68,-3.66,;21.02,-4.43,;22.35,-3.67,;23.68,-4.45,;25.01,-3.68,;25.02,-2.14,;23.68,-1.37,;22.35,-2.14,)| Show InChI InChI=1S/C22H25N3O/c26-21(9-8-17-5-2-1-3-6-17)24-22-19-10-13-25(14-11-19)20(22)15-18-7-4-12-23-16-18/h1-9,12,16,19-20,22H,10-11,13-15H2,(H,24,26)/b9-8+/t20-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50451609 (CHEMBL4204902) Show SMILES Clc1cccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc12 |r,wU:8.17,THB:16:8:11.12:15.14,(20.27,-18.08,;19.86,-19.64,;20.96,-20.73,;20.57,-22.22,;19.09,-22.63,;17.99,-21.54,;16.46,-21.63,;15.26,-22.59,;13.98,-21.77,;14.28,-23.23,;12.84,-22.57,;11.23,-23.26,;11.01,-21.8,;12.56,-21.13,;12.63,-19.41,;13.11,-20.57,;14.37,-20.28,;15.9,-20.19,;17.09,-19.22,;18.38,-20.05,)| Show InChI InChI=1S/C15H16ClN3O/c16-11-2-1-3-12-13(11)17-14-19(12)9-15(20-14)8-18-6-4-10(15)5-7-18/h1-3,10H,4-9H2/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as increase in calcium flux measured for 2 mins by ...				Bioorg Med Chem Lett 27: 5002-5005 (2017) Article DOI: 10.1016/j.bmcl.2017.10.009 BindingDB Entry DOI: 10.7270/Q24Q7XJ3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50393247 (CHEMBL1258006) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(5.71,-17.16,;5.73,-15.62,;4.4,-14.83,;3.06,-15.59,;1.59,-14.95,;.24,-15.55,;-.04,-16.95,;1.33,-16.32,;1.07,-14.41,;1.52,-13.3,;2.87,-16.97,;3.63,-18.31,;2.84,-19.64,;1.3,-19.62,;.52,-20.94,;1.28,-22.29,;2.83,-22.3,;3.61,-20.97,;7.07,-14.87,;7.24,-13.35,;8.76,-13.04,;9.54,-11.72,;11.07,-11.74,;11.83,-13.08,;11.04,-14.41,;9.51,-14.39,;8.47,-15.52,)| Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50232613 (CHEMBL4061082) Show SMILES Cc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1 |r,wU:9.18,t:6,TLB:17:9:13.12:15.16,THB:8:9:13.12:15.16,(22.65,-23.58,;21.11,-23.58,;20.35,-24.92,;18.81,-24.91,;18.04,-23.58,;16.5,-23.58,;15.73,-24.91,;16.35,-26.32,;15.21,-27.34,;13.88,-26.57,;13.86,-27.99,;11.7,-27.45,;11.71,-25.65,;12.27,-24.38,;12.35,-25.9,;10.95,-26.66,;10.63,-28.21,;14.2,-25.07,;18.8,-22.24,;20.34,-22.24,)| Show InChI InChI=1S/C14H19N5O/c1-10-6-15-12(16-7-10)18-13-17-8-14(20-13)9-19-4-2-11(14)3-5-19/h6-7,11H,2-5,8-9H2,1H3,(H,15,16,17,18)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50232610 (CHEMBL4089244) Show SMILES COc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)nc1 |r,wU:10.19,t:7,TLB:18:10:14.13:16.17,THB:9:10:14.13:16.17,(35.32,-21.48,;34.55,-22.82,;33.02,-22.82,;32.25,-24.16,;30.71,-24.16,;29.95,-22.82,;28.4,-22.82,;27.63,-24.15,;28.26,-25.56,;27.11,-26.59,;25.78,-25.82,;25.77,-27.23,;23.6,-26.69,;23.61,-24.89,;24.18,-23.62,;24.25,-25.14,;22.86,-25.9,;22.53,-27.46,;26.1,-24.31,;30.71,-21.49,;32.25,-21.48,)| Show InChI InChI=1S/C14H19N5O2/c1-20-11-6-15-12(16-7-11)18-13-17-8-14(21-13)9-19-4-2-10(14)3-5-19/h6-7,10H,2-5,8-9H2,1H3,(H,15,16,17,18)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50451620 (CHEMBL4209536) Show SMILES Brc1nc2O[C@@]3(Cn2c1Br)CN1CCC3CC1 |r,wU:5.4,THB:4:5:13.12:16.15,(20.16,-14,;18.86,-14.88,;17.41,-14.34,;16.47,-15.56,;14.99,-15.99,;14.94,-17.53,;16.38,-18.06,;17.33,-16.85,;18.81,-16.41,;20.06,-17.37,;15.56,-18.89,;14.01,-18.57,;12.59,-19.61,;12.06,-18.23,;13.42,-17.22,;13.1,-15.53,;13.83,-16.68,)| Show InChI InChI=1S/C11H13Br2N3O/c12-8-9(13)16-6-11(17-10(16)14-8)5-15-3-1-7(11)2-4-15/h7H,1-6H2/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as increase in calcium flux measured for 2 mins by ...				Bioorg Med Chem Lett 27: 5002-5005 (2017) Article DOI: 10.1016/j.bmcl.2017.10.009 BindingDB Entry DOI: 10.7270/Q24Q7XJ3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50211196 (CHEMBL3954179) Show SMILES C1N=C(Nc2nc3ccccc3s2)OC11CN2CCC1CC2 |t:1,THB:13:14:17.18:21.20,(24.52,-9.98,;25.36,-8.69,;24.39,-7.5,;24.78,-6.01,;26.27,-5.61,;27.47,-6.57,;28.75,-5.73,;30.23,-6.12,;31.32,-5.04,;30.92,-3.55,;29.44,-3.16,;28.36,-4.24,;26.82,-4.16,;22.95,-8.05,;23.03,-9.59,;23.33,-11.11,;21.84,-10.42,;20.18,-11.14,;19.97,-9.63,;21.57,-8.94,;21.64,-7.16,;22.12,-8.36,)| Show InChI InChI=1S/C16H18N4OS/c1-2-4-13-12(3-1)18-15(22-13)19-14-17-9-16(21-14)10-20-7-5-11(16)6-8-20/h1-4,11H,5-10H2,(H,17,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 measured for 2 mins by FLIPR assay				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164924 (Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-...) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1cc2ccccc2o1 |wU:3.2,10.12,(5.23,-1.38,;5.23,.16,;3.9,.93,;2.55,.16,;1.22,.93,;.45,-.4,;1.78,-1.17,;1.22,-2.15,;-.09,-1.38,;-.09,.16,;2.55,-1.38,;3.9,-2.15,;3.88,-3.69,;2.55,-4.46,;2.55,-6,;3.88,-6.77,;5.23,-6,;5.21,-4.46,;6.56,.93,;8.03,.44,;8.94,1.7,;10.46,1.86,;11.08,3.27,;10.17,4.52,;8.64,4.36,;8.03,2.94,;6.56,2.47,)| Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50211220 (CHEMBL3970846) Show SMILES C1N=C(Nc2nc3ccccc3s2)O[C@]11CN2CCC1CC2 |r,wU:14.15,t:1,THB:13:14:17.18:21.20,(28.88,-37.4,;29.71,-36.11,;28.74,-34.91,;29.14,-33.42,;30.62,-33.02,;31.83,-33.98,;33.11,-33.14,;34.59,-33.54,;35.68,-32.45,;35.27,-30.97,;33.79,-30.57,;32.72,-31.66,;31.18,-31.58,;27.31,-35.47,;27.39,-37,;27.69,-38.52,;26.2,-37.84,;24.54,-38.55,;24.32,-37.05,;25.92,-36.35,;26,-34.57,;26.47,-35.78,)| Show InChI InChI=1S/C16H18N4OS/c1-2-4-13-12(3-1)18-15(22-13)19-14-17-9-16(21-14)10-20-7-5-11(16)6-8-20/h1-4,11H,5-10H2,(H,17,18,19)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 measured for 2 mins by FLIPR assay				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50451605 (CHEMBL4216282) Show SMILES FC(F)(F)c1cccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc12 |r,wU:11.20,THB:19:11:14.15:18.17,(21.31,-17.57,;22.72,-18.38,;22.72,-16.76,;24.29,-17.96,;22.32,-19.95,;23.42,-21.04,;23.02,-22.53,;21.54,-22.93,;20.44,-21.85,;18.91,-21.94,;17.71,-22.9,;16.43,-22.07,;16.73,-23.54,;15.29,-22.87,;13.68,-23.57,;13.47,-22.11,;15.02,-21.44,;15.08,-19.72,;15.56,-20.88,;16.82,-20.59,;18.35,-20.5,;19.54,-19.53,;20.83,-20.36,)| Show InChI InChI=1S/C16H16F3N3O/c17-16(18,19)11-2-1-3-12-13(11)20-14-22(12)9-15(23-14)8-21-6-4-10(15)5-7-21/h1-3,10H,4-9H2/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as increase in calcium flux measured for 2 mins by ...				Bioorg Med Chem Lett 27: 5002-5005 (2017) Article DOI: 10.1016/j.bmcl.2017.10.009 BindingDB Entry DOI: 10.7270/Q24Q7XJ3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50211197 (CHEMBL3951064) Show SMILES [H][C@@]12CCN(C1)C[C@@]21CN=C(Nc2nc3ccccc3s2)O1 |r,t:11,TLB:21:7:5:3.2| Show InChI InChI=1S/C15H16N4OS/c1-2-4-12-11(3-1)17-14(21-12)18-13-16-8-15(20-13)9-19-6-5-10(15)7-19/h1-4,10H,5-9H2,(H,16,17,18)/t10-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 measured for 2 mins by FLIPR assay				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430252 (CHEMBL2332470) Show SMILES O=c1cc(-c2cccc3[nH]ccc23)c2ccccc2n1CC1CN2CCC1CC2 |(71.88,-38.9,;70.55,-38.12,;70.55,-36.57,;69.21,-35.78,;69.21,-34.25,;67.88,-33.49,;67.87,-31.95,;69.21,-31.17,;70.54,-31.94,;72,-31.47,;72.91,-32.71,;72.01,-33.96,;70.54,-33.48,;67.87,-36.56,;66.53,-35.8,;65.2,-36.57,;65.2,-38.11,;66.54,-38.88,;67.87,-38.12,;69.2,-38.89,;69.2,-40.43,;67.86,-41.2,;66.54,-40.42,;65.2,-41.18,;65.19,-42.72,;66.52,-43.5,;67.87,-42.73,;66.72,-41.17,;65.96,-42.5,)| Show InChI InChI=1S/C25H25N3O/c29-25-14-22(19-5-3-6-23-20(19)8-11-26-23)21-4-1-2-7-24(21)28(25)16-18-15-27-12-9-17(18)10-13-27/h1-8,11,14,17-18,26H,9-10,12-13,15-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50235306 (CHEMBL4084621) Show SMILES C1N=C(Nc2cc(ncn2)-n2ccnc2)O[C@]11CN2CCC1CC2 |r,wD:16.18,t:1,TLB:0:16:19.20:23.22,THB:15:16:19.20:23.22,(31.2,-13.57,;31.65,-12.09,;30.38,-11.22,;30.34,-9.66,;31.67,-8.85,;31.64,-7.31,;32.95,-6.51,;34.32,-7.25,;34.35,-8.8,;33.03,-9.6,;32.91,-4.97,;31.64,-4.11,;32.08,-2.63,;33.62,-2.59,;34.13,-4.04,;29.15,-12.15,;29.66,-13.6,;30.52,-14.71,;28.75,-15.67,;28.49,-16.79,;27.69,-15.62,;28.18,-14.23,;26.95,-13.14,;27.24,-14.35,)| Show InChI InChI=1S/C16H19N7O/c1-4-22-5-2-12(1)16(9-22)8-18-15(24-16)21-13-7-14(20-10-19-13)23-6-3-17-11-23/h3,6-7,10-12H,1-2,4-5,8-9H2,(H,18,19,20,21)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibitory constant against human placenta 17-beta-hydroxysteroid dehydrogenase type 2 (17-beta-HSD type 2)				ACS Med Chem Lett 8: 366-371 (2017) Article DOI: 10.1021/acsmedchemlett.7b00032 BindingDB Entry DOI: 10.7270/Q2S46V8B
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50319936 ((1S,4S)-2-methyl-5-(6-phenylpyridazin-3-yl)-2,5-di...) Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(nn1)-c1ccccc1 |r| Show InChI InChI=1S/C16H18N4/c1-19-10-14-9-13(19)11-20(14)16-8-7-15(17-18-16)12-5-3-2-4-6-12/h2-8,13-14H,9-11H2,1H3/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in GH4C1 cells by fluorescent calcium assay				Eur J Med Chem 95: 277-301 (2015) Article DOI: 10.1016/j.ejmech.2015.03.025 BindingDB Entry DOI: 10.7270/Q2DN46RR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50516168 (CHEMBL4541269) Show SMILES COc1ccc(Cl)cc1NCC1C(c2ccc(cc2)S(N)(=O)=O)C1(C)C Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2)15(11-22-16-10-13(20)6-9-17(16)25-3)18(19)12-4-7-14(8-5-12)26(21,23)24/h4-10,15,18,22H,11H2,1-3H3,(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a
Bionomics Limited Curated by ChEMBL					Assay Description Positive allosteric modulatory activity at rat alpha7 nAChR expressed in GH4C1 cells assessed as potentiation of acetylcholine response at -70 mV hol...				ACS Med Chem Lett 10: 754-760 (2019) Article DOI: 10.1021/acsmedchemlett.9b00001 BindingDB Entry DOI: 10.7270/Q25D8W77
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50451613 (CHEMBL4211836) Show SMILES COc1ccc(cc1)-c1cccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc12 |r,wU:15.25,THB:23:15:18.19:22.21,(21.29,-19.75,;22.44,-20.88,;22.03,-22.43,;23.18,-23.57,;22.78,-25.13,;21.22,-25.55,;20.07,-24.43,;20.47,-22.87,;20.81,-27.11,;21.91,-28.19,;21.52,-29.67,;20.04,-30.08,;18.95,-29,;17.42,-29.08,;16.23,-30.05,;14.94,-29.22,;15.24,-30.68,;13.81,-30.02,;12.2,-30.71,;11.99,-29.26,;13.54,-28.59,;13.6,-26.87,;14.08,-28.03,;15.33,-27.74,;16.86,-27.65,;18.05,-26.68,;19.33,-27.51,)| Show InChI InChI=1S/C22H23N3O2/c1-26-17-7-5-15(6-8-17)18-3-2-4-19-20(18)23-21-25(19)14-22(27-21)13-24-11-9-16(22)10-12-24/h2-8,16H,9-14H2,1H3/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as increase in calcium flux measured for 2 mins by ...				Bioorg Med Chem Lett 27: 5002-5005 (2017) Article DOI: 10.1016/j.bmcl.2017.10.009 BindingDB Entry DOI: 10.7270/Q24Q7XJ3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50211210 (CHEMBL3984925) Show SMILES C1N=C(Nc2ccc3ccccc3n2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,THB:14:15:18.19:22.21,(48.06,-43.88,;48.9,-42.58,;47.93,-41.39,;48.32,-39.9,;49.81,-39.5,;50.19,-38.02,;51.67,-37.61,;52.77,-38.7,;54.25,-38.3,;55.34,-39.38,;54.95,-40.88,;53.46,-41.27,;52.37,-40.19,;50.89,-40.59,;46.49,-41.94,;46.57,-43.48,;46.88,-45,;45.38,-44.31,;43.72,-45.03,;43.51,-43.53,;45.11,-42.83,;45.18,-41.05,;45.66,-42.26,)| Show InChI InChI=1S/C18H20N4O/c1-2-4-15-13(3-1)5-6-16(20-15)21-17-19-11-18(23-17)12-22-9-7-14(18)8-10-22/h1-6,14H,7-12H2,(H,19,20,21)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC3 measured for 2 mins by FLIPR assay				J Med Chem 59: 11171-11181 (2016) Article DOI: 10.1021/acs.jmedchem.6b01506 BindingDB Entry DOI: 10.7270/Q2NS0X2H
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50232612 (CHEMBL4098850) Show SMILES C1N=C(Nc2cc3cccnc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:19.18:21.22,THB:0:15:19.18:21.22,(16.97,-7.96,;18.11,-6.94,;17.49,-5.53,;18.26,-4.19,;19.81,-4.2,;20.57,-2.86,;22.11,-2.86,;22.87,-1.52,;24.41,-1.52,;25.19,-2.86,;24.42,-4.2,;22.88,-4.2,;22.11,-5.53,;20.57,-5.53,;15.96,-5.69,;15.64,-7.19,;15.62,-8.6,;13.46,-8.07,;13.47,-6.27,;14.04,-4.99,;14.11,-6.52,;12.71,-7.28,;12.39,-8.83,)| Show InChI InChI=1S/C17H19N5O/c1-2-12-8-15(19-9-14(12)18-5-1)21-16-20-10-17(23-16)11-22-6-3-13(17)4-7-22/h1-2,5,8-9,13H,3-4,6-7,10-11H2,(H,19,20,21)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50399767 (CHEMBL2180253) Show SMILES Oc1ccc2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:13.14,wD:20.24,(39.86,-14.21,;39.23,-15.62,;40.13,-16.87,;39.49,-18.26,;37.97,-18.41,;37.07,-19.65,;35.61,-19.17,;35.61,-17.63,;37.08,-17.16,;37.71,-15.77,;34.45,-20.2,;34.45,-21.74,;33.12,-19.43,;31.78,-20.19,;30.45,-19.41,;29.12,-20.19,;29.12,-21.74,;30.45,-22.5,;29.66,-21.16,;31.04,-20.66,;31.78,-21.74,;33.12,-22.51,;33.11,-24.05,;31.77,-24.82,;31.77,-26.36,;33.11,-27.13,;34.45,-26.36,;34.45,-24.82,)| Show InChI InChI=1S/C22H23N3O3/c26-17-3-4-19-16(11-17)12-20(28-19)22(27)24-21-15-5-8-25(9-6-15)18(21)10-14-2-1-7-23-13-14/h1-4,7,11-13,15,18,21,26H,5-6,8-10H2,(H,24,27)/t18-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50399777 (CHEMBL2179877) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1ccccn1 |r,wU:3.2,wD:10.12,(17.82,-36.07,;17.82,-34.53,;16.49,-33.76,;15.15,-34.53,;13.82,-33.75,;12.49,-34.53,;12.49,-36.07,;13.82,-36.83,;13.04,-35.49,;14.42,-34.99,;15.15,-36.07,;16.48,-36.84,;16.48,-38.38,;15.15,-39.14,;15.14,-40.68,;16.48,-41.46,;17.82,-40.68,;17.81,-39.14,;18.97,-33.5,;18.98,-31.97,;20.44,-31.5,;21.34,-32.75,;20.43,-33.98,;22.88,-32.76,;23.65,-31.43,;25.18,-31.43,;25.95,-32.77,;25.18,-34.1,;23.64,-34.1,)| Show InChI InChI=1S/C23H24N4OS/c28-23(21-7-6-20(29-21)18-5-1-2-11-25-18)26-22-17-8-12-27(13-9-17)19(22)14-16-4-3-10-24-15-16/h1-7,10-11,15,17,19,22H,8-9,12-14H2,(H,26,28)/t19-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50393249 (CHEMBL2151441) Show SMILES Cc1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:9.9,wD:16.19,(5.74,.65,;4.2,.81,;3.44,2.15,;1.93,1.84,;1.77,.31,;3.17,-.33,;.43,-.46,;.43,-2,;-.9,.32,;-2.23,-.45,;-3.56,.33,;-4.89,-.44,;-4.89,-1.98,;-3.56,-2.75,;-4.3,-1.39,;-2.81,-1,;-2.23,-1.98,;-.9,-2.76,;-.9,-4.3,;-2.24,-5.06,;-2.24,-6.6,;-.91,-7.37,;.43,-6.6,;.43,-5.06,)| Show InChI InChI=1S/C19H23N3OS/c1-13-4-5-17(24-13)19(23)21-18-15-6-9-22(10-7-15)16(18)11-14-3-2-8-20-12-14/h2-5,8,12,15-16,18H,6-7,9-11H2,1H3,(H,21,23)/t16-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAchR expressed in GH4C1 cells by whole cell patch clamp assay				J Med Chem 55: 9793-809 (2012) Article DOI: 10.1021/jm301048a BindingDB Entry DOI: 10.7270/Q2J67J2T
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50451617 (CHEMBL4206339) Show SMILES Clc1ccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc2c1 |r,wU:7.16,THB:15:7:10.11:14.13,(20.93,-19.2,;19.37,-19.62,;18.98,-21.11,;17.49,-21.52,;16.4,-20.43,;14.86,-20.52,;13.67,-21.49,;12.38,-20.66,;12.68,-22.12,;11.24,-21.46,;9.63,-22.15,;9.42,-20.69,;10.97,-20.02,;11.04,-18.3,;11.51,-19.47,;12.77,-19.17,;14.3,-19.09,;15.5,-18.11,;16.78,-18.95,;18.27,-18.54,)| Show InChI InChI=1S/C15H16ClN3O/c16-11-1-2-13-12(7-11)17-14-19(13)9-15(20-14)8-18-5-3-10(15)4-6-18/h1-2,7,10H,3-6,8-9H2/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as increase in calcium flux measured for 2 mins by ...				Bioorg Med Chem Lett 27: 5002-5005 (2017) Article DOI: 10.1016/j.bmcl.2017.10.009 BindingDB Entry DOI: 10.7270/Q24Q7XJ3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50451604 (CHEMBL4204677) Show SMILES Brc1nc2OC3(Cn2c1Br)CN1CCC3CC1 |THB:4:5:13.12:16.15,(20.16,-14,;18.86,-14.88,;17.41,-14.34,;16.47,-15.56,;14.99,-15.99,;14.94,-17.53,;16.38,-18.06,;17.33,-16.85,;18.81,-16.41,;20.06,-17.37,;15.56,-18.89,;14.01,-18.57,;12.59,-19.61,;12.06,-18.23,;13.42,-17.22,;13.1,-15.53,;13.83,-16.68,)| Show InChI InChI=1S/C11H13Br2N3O/c12-8-9(13)16-6-11(17-10(16)14-8)5-15-3-1-7(11)2-4-15/h7H,1-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as increase in calcium flux measured for 2 mins by ...				Bioorg Med Chem Lett 27: 5002-5005 (2017) Article DOI: 10.1016/j.bmcl.2017.10.009 BindingDB Entry DOI: 10.7270/Q24Q7XJ3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50430250 (CHEMBL2332468) Show SMILES CC(=O)NCc1cccc(c1)-c1cc(=O)n(CC2CN3CCC2CC3)c2ccccc12 |(23.34,-47.59,;22,-46.82,;22,-45.28,;20.68,-47.59,;19.34,-46.82,;18.01,-47.59,;16.68,-46.82,;15.34,-47.59,;15.34,-49.13,;16.67,-49.89,;18.01,-49.13,;16.67,-51.42,;18.02,-52.21,;18.02,-53.76,;19.35,-54.54,;16.67,-54.53,;16.67,-56.07,;15.33,-56.84,;14,-56.06,;12.67,-56.82,;12.66,-58.36,;13.99,-59.14,;15.33,-58.37,;14.19,-56.81,;13.43,-58.14,;15.33,-53.76,;14,-54.53,;12.67,-53.75,;12.67,-52.21,;14,-51.44,;15.33,-52.2,)| Show InChI InChI=1S/C26H29N3O2/c1-18(30)27-15-19-5-4-6-21(13-19)24-14-26(31)29(25-8-3-2-7-23(24)25)17-22-16-28-11-9-20(22)10-12-28/h2-8,13-14,20,22H,9-12,15-17H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as calcium ion influx by FRET assay				Bioorg Med Chem Lett 23: 1684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.01.070 BindingDB Entry DOI: 10.7270/Q2M046SH
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164924 (Benzofuran-2-carboxylic acid ((2R,3R)-2-pyridin-3-...) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1)c1cc2ccccc2o1 |wU:3.2,10.12,(5.23,-1.38,;5.23,.16,;3.9,.93,;2.55,.16,;1.22,.93,;.45,-.4,;1.78,-1.17,;1.22,-2.15,;-.09,-1.38,;-.09,.16,;2.55,-1.38,;3.9,-2.15,;3.88,-3.69,;2.55,-4.46,;2.55,-6,;3.88,-6.77,;5.23,-6,;5.21,-4.46,;6.56,.93,;8.03,.44,;8.94,1.7,;10.46,1.86,;11.08,3.27,;10.17,4.52,;8.64,4.36,;8.03,2.94,;6.56,2.47,)| Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Potency against rat nicotininic acetylcholine alpha-7 subunit expressed in Xenopus oocytes as current activation				Bioorg Med Chem Lett 15: 2073-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.045 BindingDB Entry DOI: 10.7270/Q2GT5NX3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50451616 (CHEMBL4209782) Show SMILES Cc1ccc2nc3O[C@@]4(Cn3c2c1)CN1CCC4CC1 |r,wU:8.7,THB:7:8:15.16:19.18,(21.72,-23.36,;20.57,-22.22,;20.96,-20.73,;19.86,-19.64,;18.38,-20.05,;17.09,-19.22,;15.9,-20.19,;14.36,-20.28,;13.98,-21.76,;15.26,-22.59,;16.46,-21.63,;17.99,-21.54,;19.09,-22.63,;14.28,-23.23,;12.84,-22.56,;11.22,-23.26,;11.01,-21.8,;12.56,-21.13,;12.63,-19.41,;13.11,-20.57,)| Show InChI InChI=1S/C16H19N3O/c1-11-2-3-13-14(8-11)19-10-16(20-15(19)17-13)9-18-6-4-12(16)5-7-18/h2-3,8,12H,4-7,9-10H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells co-expressing human RIC-3 assessed as increase in calcium flux measured for 2 mins by ...				Bioorg Med Chem Lett 27: 5002-5005 (2017) Article DOI: 10.1016/j.bmcl.2017.10.009 BindingDB Entry DOI: 10.7270/Q24Q7XJ3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50232605 (CHEMBL4077222) Show SMILES Clc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)cn1 |r,wU:9.18,t:6,TLB:17:9:13.12:15.16,THB:8:9:13.12:15.16,(59.32,-34.01,;57.78,-34.01,;57.01,-35.35,;55.47,-35.35,;54.7,-34.01,;53.16,-34.01,;52.39,-35.34,;53.01,-36.75,;51.87,-37.78,;50.53,-37.01,;50.52,-38.42,;48.35,-37.89,;48.36,-36.08,;48.93,-34.81,;49,-36.34,;47.61,-37.09,;47.28,-38.65,;50.85,-35.5,;55.47,-32.67,;57,-32.67,)| Show InChI InChI=1S/C13H16ClN5O/c14-10-5-16-11(6-15-10)18-12-17-7-13(20-12)8-19-3-1-9(13)2-4-19/h5-6,9H,1-4,7-8H2,(H,16,17,18)/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50232616 (CHEMBL4101249) Show SMILES COc1cnc(NC2=NC[C@@]3(CN4CCC3CC4)O2)cn1 |r,wU:10.19,t:7,TLB:18:10:14.13:16.17,THB:9:10:14.13:16.17,(48.39,-32.21,;47.62,-33.55,;46.09,-33.55,;45.32,-34.89,;43.78,-34.89,;43.01,-33.55,;41.47,-33.55,;40.7,-34.88,;41.32,-36.29,;40.18,-37.32,;38.84,-36.55,;38.83,-37.96,;36.66,-37.43,;36.67,-35.63,;37.24,-34.35,;37.31,-35.88,;35.92,-36.64,;35.59,-38.19,;39.17,-35.04,;43.78,-32.21,;45.31,-32.21,)| Show InChI InChI=1S/C14H19N5O2/c1-20-12-7-15-11(6-16-12)18-13-17-8-14(21-13)9-19-4-2-10(14)3-5-19/h6-7,10H,2-5,8-9H2,1H3,(H,15,17,18)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Agonist activity at rat alpha7 nAChR expressed in HEK293 cells assessed as increase in calcium influx measured for 2 mins by Fluo-4-AM dye based FLIP...				Bioorg Med Chem Lett 27: 1261-1266 (2017) Article DOI: 10.1016/j.bmcl.2017.01.058 BindingDB Entry DOI: 10.7270/Q2FJ2K1D
					More data for this Ligand-Target Pair

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